6-bromo-5-methyl-1,2-dihydropyridin-3-ol

C6H8BrNO — CID 86340855

IUPAC6-bromo-5-methyl-1,2-dihydropyridin-3-ol
SMILESCC1=C(Br)NCC(O)=C1
InChIInChI=1S/C6H8BrNO/c1-4-2-5(9)3-8-6(4)7/h2,8-9H,3H2,1H3
InChIKeyGJKDCAISNHWIRK-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.66
Rot. Bonds

About 6-bromo-5-methyl-1,2-dihydropyridin-3-ol

6-bromo-5-methyl-1,2-dihydropyridin-3-ol (PubChem CID 86340855) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 6-bromo-5-methyl-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name6-bromo-5-methyl-1,2-dihydropyridin-3-ol
PubChem CID86340855
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name6-bromo-5-methyl-1,2-dihydropyridin-3-ol
SMILESCC1=C(Br)NCC(O)=C1
InChIInChI=1S/C6H8BrNO/c1-4-2-5(9)3-8-6(4)7/h2,8-9H,3H2,1H3
InChIKeyGJKDCAISNHWIRK-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-1,2-dihydropyridin-3-ol?
The IUPAC name of 6-bromo-5-methyl-1,2-dihydropyridin-3-ol (CID 86340855) is 6-bromo-5-methyl-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 6-bromo-5-methyl-1,2-dihydropyridin-3-ol?
The canonical SMILES for 6-bromo-5-methyl-1,2-dihydropyridin-3-ol is CC1=C(Br)NCC(O)=C1.
What is the InChIKey of 6-bromo-5-methyl-1,2-dihydropyridin-3-ol?
The InChIKey is GJKDCAISNHWIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c1-4-2-5(9)3-8-6(4)7/h2,8-9H,3H2,1H3.
What are the key properties of 6-bromo-5-methyl-1,2-dihydropyridin-3-ol?
6-bromo-5-methyl-1,2-dihydropyridin-3-ol has a molecular weight of 190.04 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 86340855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).